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Home > Indoles and Oxindole > 18409-77-3
18409-77-3 | 1H-Isoindol-1-one, 2,3-dihydro-2-(2-hydroxyethyl)-3-phenyl-
CAS No: 18409-77-3 Catalog No: AG007SJQ MDL No:
Product Description
Catalog Number:
AG007SJQ
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-(2-hydroxyethyl)-3-phenyl-
CAS Number:
18409-77-3
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
2-(2-hydroxyethyl)-3-phenyl-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO2/c18-11-10-17-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(17)19/h1-9,15,18H,10-11H2
InChI Key:
QFGYMIGOAGPJEJ-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)c2c(C1c1ccccc1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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